[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-(dibenzylamino)-2-oxo-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-[bis(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(dibenzylamino)-2-oxoethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-(dibenzylamino)-2-keto-ethyl] ester Formula: C27H30BrNO3 MolecularWeight: 496.436

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H30BrNO3/c28-27-14-22-11-23(15-27)13-26(12-22,19-27)25(31)32-18-24(30)29(16-20-7-3-1-4-8-20)17-21-9-5-2-6-10-21/h1-10,22-23H,11-19H2